1-phenyl-2-azabicyclo[2.2.1]heptan-6-one

C12H13NO — CID 134864844

IUPAC1-phenyl-2-azabicyclo[2.2.1]heptan-6-one
SMILESO=C1CC2CNC1(c1ccccc1)C2
InChIInChI=1S/C12H13NO/c14-11-6-9-7-12(11,13-8-9)10-4-2-1-3-5-10/h1-5,9,13H,6-8H2
InChIKeyQUBCKGAPSFIHBF-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.46
Rot. Bonds1

About 1-phenyl-2-azabicyclo[2.2.1]heptan-6-one

1-phenyl-2-azabicyclo[2.2.1]heptan-6-one (PubChem CID 134864844) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-phenyl-2-azabicyclo[2.2.1]heptan-6-one.

Molecular Properties

Compound Name1-phenyl-2-azabicyclo[2.2.1]heptan-6-one
PubChem CID134864844
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1-phenyl-2-azabicyclo[2.2.1]heptan-6-one
SMILESO=C1CC2CNC1(c1ccccc1)C2
InChIInChI=1S/C12H13NO/c14-11-6-9-7-12(11,13-8-9)10-4-2-1-3-5-10/h1-5,9,13H,6-8H2
InChIKeyQUBCKGAPSFIHBF-UHFFFAOYSA-N
XLogP1.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-phenyl-2-azabicyclo[2.2.1]heptan-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-azabicyclo[2.2.1]heptan-6-one?
The IUPAC name of 1-phenyl-2-azabicyclo[2.2.1]heptan-6-one (CID 134864844) is 1-phenyl-2-azabicyclo[2.2.1]heptan-6-one.
What is the SMILES notation for 1-phenyl-2-azabicyclo[2.2.1]heptan-6-one?
The canonical SMILES for 1-phenyl-2-azabicyclo[2.2.1]heptan-6-one is O=C1CC2CNC1(c1ccccc1)C2.
What is the InChIKey of 1-phenyl-2-azabicyclo[2.2.1]heptan-6-one?
The InChIKey is QUBCKGAPSFIHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c14-11-6-9-7-12(11,13-8-9)10-4-2-1-3-5-10/h1-5,9,13H,6-8H2.
What are the key properties of 1-phenyl-2-azabicyclo[2.2.1]heptan-6-one?
1-phenyl-2-azabicyclo[2.2.1]heptan-6-one has a molecular weight of 187.24 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-azabicyclo[2.2.1]heptan-6-one is sourced from PubChem (CID 134864844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).